SCHEMBL4120583

SCHEMBL4120583

CN1CCCn2c(-c3cc(Cl)ccc3F)nc(C(=O)N[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C(C)(C)C)c2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.52
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CNR1 P21554 2/20 0.36
GPR35 Q9HC97 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
CCR1 P32246 2/20 0.35
USP30 Q70CQ3 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.34
STS P08842 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4120576 1.00 CNR2 (0.52) CNR2CYP3A4CYP3A5MEN1KMT2A
SCHEMBL13798837 0.92 CNR2 (0.52) CNR2MEN1KMT2AMAPTCCR1
SCHEMBL4122003 0.92 CNR2 (0.58) CNR2CNR1CCR1
SCHEMBL4122007 0.92 CNR2 (0.58) CNR2CNR1CCR1
SCHEMBL4130339 0.91 CNR2 (0.57) CNR2CNR1CCR1DPP4
SCHEMBL4130336 0.91 CNR2 (0.57) CNR2CNR1CCR1DPP4
SCHEMBL4123160 0.91 CNR2 (0.57) CNR2CCR1DPP4
SCHEMBL4115433 0.88 CNR2 (0.54) CNR2CNR1GPR35CCR1HTT
SCHEMBL4115431 0.88 CNR2 (0.54) CNR2CNR1GPR35CCR1HTT
SCHEMBL4121874 0.88 CNR2 (0.52) CNR2MAPTCNR1CCR1DPP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885CYP3A4 686/4885CYP3A5 447/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.